bis(tert-butyl 1-(2-acetamidopropan-2-yl)-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate);bis(N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide);dihydrochloride

C86H126Cl6N8O8 — CID 159483122

About bis(tert-butyl 1-(2-acetamidopropan-2-yl)-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate);bis(N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide);dihydrochloride

bis(tert-butyl 1-(2-acetamidopropan-2-yl)-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate);bis(N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide);dihydrochloride (PubChem CID 159483122) has the molecular formula C86H126Cl6N8O8 and a molecular weight of 1612.72 g/mol. Its IUPAC name is bis(tert-butyl 1-(2-acetamidopropan-2-yl)-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate);bis(N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide);dihydrochloride.

Molecular Properties

• Compound Name: bis(tert-butyl 1-(2-acetamidopropan-2-yl)-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate);bis(N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide);dihydrochloride
• PubChem CID: 159483122
• Molecular Formula: C86H126Cl6N8O8
• Molecular Weight: 1612.72 g/mol
• Exact Mass: 1608.78
• IUPAC Name: bis(tert-butyl 1-(2-acetamidopropan-2-yl)-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate);bis(N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide);dihydrochloride
• SMILES: CC(=O)NC(C)(C)C1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(Cl)c(C)cc21.CC(=O)NC(C)(C)C1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(Cl)c(C)cc21.CC(=O)NC(C)(C)C1CC2(CCNCC2)c2cc(Cl)c(C)cc21.CC(=O)NC(C)(C)C1CC2(CCNCC2)c2cc(Cl)c(C)cc21.Cl.Cl
• InChI: InChI=1S/2C24H35ClN2O3.2C19H27ClN2O.2ClH/c2*1-15-12-17-18(13-20(15)25)24(14-19(17)23(6,7)26-16(2)28)8-10-27(11-9-24)21(29)30-22(3,4)5;2*1-12-9-14-15(10-17(12)20)19(5-7-21-8-6-19)11-16(14)18(3,4)22-13(2)23;;/h2*12-13,19H,8-11,14H2,1-7H3,(H,26,28);2*9-10,16,21H,5-8,11H2,1-4H3,(H,22,23);2*1H
• InChIKey: YNARRLIEHYDTJW-UHFFFAOYSA-N
• XLogP: 18.83
• TPSA: 199.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1612.72
LogP ≤ 5	18.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl 1-(2-acetamidopropan-2-yl)-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate);bis(N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide);dihydrochloride?

The IUPAC name of bis(tert-butyl 1-(2-acetamidopropan-2-yl)-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate);bis(N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide);dihydrochloride (CID 159483122) is bis(tert-butyl 1-(2-acetamidopropan-2-yl)-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate);bis(N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide);dihydrochloride.

What is the SMILES notation for bis(tert-butyl 1-(2-acetamidopropan-2-yl)-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate);bis(N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide);dihydrochloride?

The canonical SMILES for bis(tert-butyl 1-(2-acetamidopropan-2-yl)-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate);bis(N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide);dihydrochloride is CC(=O)NC(C)(C)C1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(Cl)c(C)cc21.CC(=O)NC(C)(C)C1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(Cl)c(C)cc21.CC(=O)NC(C)(C)C1CC2(CCNCC2)c2cc(Cl)c(C)cc21.CC(=O)NC(C)(C)C1CC2(CCNCC2)c2cc(Cl)c(C)cc21.Cl.Cl.

What is the InChIKey of bis(tert-butyl 1-(2-acetamidopropan-2-yl)-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate);bis(N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide);dihydrochloride?

The InChIKey is YNARRLIEHYDTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H35ClN2O3.2C19H27ClN2O.2ClH/c2*1-15-12-17-18(13-20(15)25)24(14-19(17)23(6,7)26-16(2)28)8-10-27(11-9-24)21(29)30-22(3,4)5;2*1-12-9-14-15(10-17(12)20)19(5-7-21-8-6-19)11-16(14)18(3,4)22-13(2)23;;/h2*12-13,19H,8-11,14H2,1-7H3,(H,26,28);2*9-10,16,21H,5-8,11H2,1-4H3,(H,22,23);2*1H.

What are the key properties of bis(tert-butyl 1-(2-acetamidopropan-2-yl)-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate);bis(N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide);dihydrochloride?

bis(tert-butyl 1-(2-acetamidopropan-2-yl)-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate);bis(N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide);dihydrochloride has a molecular weight of 1612.72 g/mol, XLogP of 18.83, 8 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(tert-butyl 1-(2-acetamidopropan-2-yl)-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate);bis(N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide);dihydrochloride is sourced from PubChem (CID 159483122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).